Chemical Properties of Eicosane, 3-methyl- (CAS 6418-46-8)

InChI

InChI=1S/C21H44/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3)5-2/h21H,4-20H2,1-3H3

InChI Key

GZCXIMGMPAZPPM-UHFFFAOYSA-N

Formula

C21H44

SMILES

CCCCCCCCCCCCCCCCCC(C)CC

Molecular Weight¹

296.57

CAS

6418-46-8

Other Names

• 3-Methyleicosane

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8551		Relay (1.0) Calculated Property
ΔfG°	123.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-491.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.62	kJ/mol	Joback Calculated Property
ΔvapH°	104.48	kJ/mol	Relay (1.0) Calculated Property
IE	9.82	eV	Relay (1.0) Calculated Property
log10WS	-8.85		Relay (1.0) Calculated Property
logPoct/wat	8.294		Crippen Calculated Property
McVol	306.750	ml/mol	McGowan Calculated Property
Pc	960.88	kPa	Joback Calculated Property
Inp	[2062.00; 2074.20]
Inp	2074.00		NIST
Inp	2072.00		NIST
Inp	2068.00		NIST
Inp	2068.00		NIST
Inp	2074.20		NIST
Inp	2065.00		NIST
Inp	2062.00		NIST
Inp	2069.00		NIST
Inp	2062.00		NIST
Inp	2072.00		NIST
Inp	2074.00		NIST
Inp	2068.00		NIST
Tboil	583.71	K	Relay (1.0) Calculated Property
Tc	755.38	K	Relay (1.0) Calculated Property
Tfus	[286.45; 286.50]	K
Tfus	286.45	K	NIST
Tfus	286.50 ± 0.50	K	NIST
Vc	1.214	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[450.66; 1103.28]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.78830e+01
Coefficient B			2.00476e+00
Coefficient C			-1.12180e-03
Coefficient D			2.38200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	450.66	J/mol×K	273.00	Calculated Property
Cp,gas	561.50	J/mol×K	353.78	Calculated Property
Cp,gas	661.00	J/mol×K	434.56	Calculated Property
Cp,gas	749.92	J/mol×K	515.33	Calculated Property
Cp,gas	829.00	J/mol×K	596.11	Calculated Property
Cp,gas	899.01	J/mol×K	676.89	Calculated Property
Cp,gas	960.68	J/mol×K	757.67	Calculated Property
Cp,gas	1014.78	J/mol×K	838.44	Calculated Property
Cp,gas	1062.06	J/mol×K	919.22	Calculated Property
Cp,gas	1103.28	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0086984; 0.0001335]	Pa×s	[286.48; 590.04]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.28627e+01
Coefficient B			2.32562e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			286.48
Temperature range, max.			590.04
η	0.0086984	Pa×s	286.48	Calculated Property
η	0.0036988	Pa×s	320.20	Calculated Property
η	0.0018513	Pa×s	353.93	Calculated Property
η	0.0010452	Pa×s	387.66	Calculated Property
η	0.0006466	Pa×s	421.39	Calculated Property
η	0.0004295	Pa×s	455.12	Calculated Property
η	0.0003019	Pa×s	488.85	Calculated Property
η	0.0002221	Pa×s	522.58	Calculated Property
η	0.0001696	Pa×s	556.31	Calculated Property
η	0.0001335	Pa×s	590.04	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[478.04; 651.25]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.91820e+01
Coefficient B			-9.03580e+03
Coefficient C			1.84000e-01
Temperature range, min.			478.04
Temperature range, max.			651.25
Pvap	1.33	kPa	478.04	Calculated Property
Pvap	2.77	kPa	497.29	Calculated Property
Pvap	5.45	kPa	516.53	Calculated Property
Pvap	10.21	kPa	535.78	Calculated Property
Pvap	18.31	kPa	555.02	Calculated Property
Pvap	31.58	kPa	574.27	Calculated Property
Pvap	52.59	kPa	593.51	Calculated Property
Pvap	84.81	kPa	612.76	Calculated Property
Pvap	132.84	kPa	632.00	Calculated Property
Pvap	202.63	kPa	651.25	Calculated Property

Similar Compounds

Find more compounds similar to Eicosane, 3-methyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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